#------------------------------------------------------------------------------
#$Date: 2019-10-14 10:58:13 +0300 (Mon, 14 Oct 2019) $
#$Revision: 219331 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/45/7234583.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7234583
loop_
_publ_author_name
'Liang Li'
'Qiang Chen'
'Zhigang Niu'
'Xinhui Zhou'
'Tao Yang'
'Wei Huang'
_publ_section_title
;
 Lanthanide metal-organic frameworks assembled from a fluorene-based
 ligand: selective sensing of Pb2+ and Fe3+ ions
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1900
_journal_page_last               1905
_journal_paper_doi               10.1039/C5TC04320D
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C118 H108 N4 O28 Eu4, 15(H2O)'
_chemical_formula_sum            'C118 H138 Eu4 N4 O43'
_chemical_formula_weight         2908.16
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                92.915(3)
_cell_angle_beta                 103.671(3)
_cell_angle_gamma                112.821(3)
_cell_formula_units_Z            1
_cell_length_a                   11.4422(4)
_cell_length_b                   13.6499(5)
_cell_length_c                   23.9769(8)
_cell_measurement_reflns_used    1920
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.4
_cell_measurement_theta_min      1.9
_cell_volume                     3311.2(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_sigmaI/netI    0.0617
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            26254
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    1.949
_exptl_absorpt_correction_T_max  0.9261
_exptl_absorpt_correction_T_min  0.8920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            whiteless
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1470
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         5.792
_refine_diff_density_min         -2.282
_refine_diff_density_rms         0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     772
_refine_ls_number_reflns         11675
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.223
_refine_ls_R_factor_all          0.1221
_refine_ls_R_factor_gt           0.1089
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0039P)²+219.4850P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2970
_refine_ls_wR_factor_ref         0.3022
_reflns_number_gt                9590
_reflns_number_total             11675
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-1900.cif
_cod_data_source_block           Eu
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7234583
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.37634(9) 0.29865(7) 0.51752(4) 0.0237(2) Uani 1 1 d . . .
Eu2 Eu 0.64560(9) -0.40266(7) 0.96192(4) 0.0308(3) Uani 1 1 d . . .
C1 C -0.292(2) 0.5010(18) 0.0763(9) 0.040(5) Uani 1 1 d . . .
C2 C -0.2172(19) 0.4736(17) 0.1287(8) 0.037(5) Uani 1 1 d . . .
C3 C -0.279(2) 0.3817(18) 0.1514(8) 0.042(5) Uani 1 1 d . . .
H3 H -0.3683 0.3393 0.1355 0.050 Uiso 1 1 calc R . .
C4 C -0.208(2) 0.3532(18) 0.1969(9) 0.043(5) Uani 1 1 d . . .
H4 H -0.2494 0.2897 0.2106 0.052 Uiso 1 1 calc R . .
C5 C -0.0757(18) 0.4185(17) 0.2229(8) 0.034(4) Uani 1 1 d . . .
C6 C 0.0195(18) 0.4132(16) 0.2728(8) 0.032(4) Uani 1 1 d . . .
C7 C 0.009(2) 0.3384(17) 0.3111(9) 0.042(5) Uani 1 1 d . . .
H7 H -0.0680 0.2763 0.3044 0.050 Uiso 1 1 calc R . .
C8 C 0.1140(19) 0.3567(15) 0.3585(8) 0.035(5) Uani 1 1 d . . .
H8 H 0.1070 0.3066 0.3838 0.042 Uiso 1 1 calc R . .
C9 C 0.2304(19) 0.4493(14) 0.3692(7) 0.030(4) Uani 1 1 d . . .
C10 C 0.3426(18) 0.4722(14) 0.4212(8) 0.032(4) Uani 1 1 d . . .
C11 C 0.2428(19) 0.5222(16) 0.3309(8) 0.036(5) Uani 1 1 d . . .
H11 H 0.3214 0.5830 0.3372 0.043 Uiso 1 1 calc R . .
C12 C 0.1381(18) 0.5044(16) 0.2834(8) 0.033(4) Uani 1 1 d . . .
C13 C 0.1262(19) 0.5761(17) 0.2370(8) 0.039(5) Uani 1 1 d . . .
C14 C 0.227(2) 0.584(3) 0.2014(11) 0.069(9) Uani 1 1 d . . .
H14A H 0.2195 0.5140 0.1863 0.083 Uiso 1 1 d R . .
H14B H 0.3144 0.6237 0.2267 0.083 Uiso 1 1 d R . .
H14C H 0.2116 0.6215 0.1695 0.083 Uiso 1 1 d R . .
C15 C 0.147(3) 0.6860(19) 0.2634(12) 0.068(8) Uani 1 1 d . . .
H15A H 0.1307 0.7256 0.2326 0.081 Uiso 1 1 d R . .
H15B H 0.2359 0.7237 0.2876 0.081 Uiso 1 1 d R . .
H15C H 0.0873 0.6787 0.2867 0.081 Uiso 1 1 d R . .
C16 C -0.0161(19) 0.5121(16) 0.2007(8) 0.036(5) Uani 1 1 d . . .
C17 C -0.0855(19) 0.5396(18) 0.1536(9) 0.042(5) Uani 1 1 d . . .
H17 H -0.0444 0.6016 0.1388 0.051 Uiso 1 1 calc R . .
C18 C -0.452(2) -0.3362(15) 0.0750(8) 0.036(5) Uani 1 1 d . . .
C19 C -0.3831(15) -0.2800(13) 0.1356(7) 0.020(3) Uani 1 1 d . . .
C20 C -0.432(2) -0.3056(17) 0.1807(9) 0.041(5) Uani 1 1 d . . .
H20 H -0.5148 -0.3624 0.1739 0.050 Uiso 1 1 calc R . .
C21 C -0.368(2) -0.2528(16) 0.2359(9) 0.040(5) Uani 1 1 d . . .
H21 H -0.4060 -0.2733 0.2661 0.047 Uiso 1 1 calc R . .
C22 C -0.2440(19) -0.1669(15) 0.2467(8) 0.032(4) Uani 1 1 d . . .
C23 C -0.1520(19) -0.0962(16) 0.3000(8) 0.034(4) Uani 1 1 d . . .
C24 C -0.157(2) -0.0971(16) 0.3576(8) 0.035(4) Uani 1 1 d . . .
H24 H -0.2278 -0.1488 0.3669 0.042 Uiso 1 1 calc R . .
C25 C -0.0535(19) -0.0196(15) 0.4010(8) 0.034(4) Uani 1 1 d . . .
H25 H -0.0573 -0.0177 0.4393 0.040 Uiso 1 1 calc R . .
C26 C 0.0530(18) 0.0535(16) 0.3879(8) 0.031(4) Uani 1 1 d . . .
C27 C 0.1689(18) 0.1382(15) 0.4353(8) 0.030(4) Uani 1 1 d . . .
C28 C 0.0607(18) 0.0546(15) 0.3300(8) 0.031(4) Uani 1 1 d . . .
H28 H 0.1327 0.1053 0.3208 0.038 Uiso 1 1 calc R . .
C29 C -0.0414(19) -0.0214(16) 0.2884(8) 0.034(4) Uani 1 1 d . . .
C30 C -0.0567(19) -0.0369(16) 0.2224(8) 0.036(5) Uani 1 1 d . . .
C31 C 0.052(2) -0.068(2) 0.2107(11) 0.064(8) Uani 1 1 d . . .
H31A H 0.0563 -0.1260 0.2307 0.077 Uiso 1 1 d R . .
H31B H 0.1340 -0.0062 0.2244 0.077 Uiso 1 1 d R . .
H31C H 0.0336 -0.0887 0.1694 0.077 Uiso 1 1 d R . .
C32 C -0.052(3) 0.061(2) 0.1958(12) 0.067(8) Uani 1 1 d . . .
H32A H -0.0737 0.0446 0.1540 0.081 Uiso 1 1 d R . .
H32B H 0.0328 0.1195 0.2101 0.081 Uiso 1 1 d R . .
H32C H -0.1168 0.0823 0.2060 0.081 Uiso 1 1 d R . .
C33 C -0.1916(19) -0.1330(16) 0.2006(9) 0.036(4) Uani 1 1 d . . .
C34 C -0.2533(17) -0.1876(13) 0.1467(7) 0.024(4) Uani 1 1 d . . .
H34 H -0.2151 -0.1678 0.1166 0.028 Uiso 1 1 calc R . .
C35 C 0.4620(18) 0.1605(16) 0.5814(8) 0.033(4) Uani 1 1 d . . .
C36 C 0.4966(18) 0.0812(15) 0.6144(8) 0.031(4) Uani 1 1 d . . .
C37 C 0.531(2) 0.0066(15) 0.5884(8) 0.035(4) Uani 1 1 d . . .
H37 H 0.5322 0.0070 0.5497 0.042 Uiso 1 1 calc R . .
C38 C 0.563(2) -0.0676(17) 0.6177(9) 0.038(5) Uani 1 1 d . . .
H38 H 0.5874 -0.1158 0.5997 0.046 Uiso 1 1 calc R . .
C39 C 0.5577(19) -0.0680(15) 0.6761(8) 0.030(4) Uani 1 1 d . . .
C40 C 0.579(2) -0.1390(16) 0.7163(9) 0.036(4) Uani 1 1 d . . .
C41 C 0.618(2) -0.2255(17) 0.7132(10) 0.044(5) Uani 1 1 d . . .
H41 H 0.6348 -0.2473 0.6797 0.053 Uiso 1 1 calc R . .
C42 C 0.631(2) -0.2752(16) 0.7599(10) 0.042(5) Uani 1 1 d . . .
H42 H 0.6547 -0.3327 0.7571 0.050 Uiso 1 1 calc R . .
C43 C 0.611(2) -0.2468(16) 0.8108(8) 0.034(4) Uani 1 1 d . . .
C44 C 0.627(2) -0.2983(16) 0.8621(11) 0.046(6) Uani 1 1 d . . .
C45 C 0.575(2) -0.1569(16) 0.8153(9) 0.036(5) Uani 1 1 d . . .
H45 H 0.5645 -0.1334 0.8502 0.044 Uiso 1 1 calc R . .
C46 C 0.5564(17) -0.1062(15) 0.7685(7) 0.028(4) Uani 1 1 d . . .
C47 C 0.5173(19) -0.0139(15) 0.7633(8) 0.030(4) Uani 1 1 d . . .
C48 C 0.611(3) 0.0819(18) 0.8094(9) 0.050(6) Uani 1 1 d . . .
H48A H 0.6165 0.0630 0.8479 0.060 Uiso 1 1 d R . .
H48B H 0.5799 0.1382 0.8061 0.060 Uiso 1 1 d R . .
H48C H 0.6959 0.1063 0.8025 0.060 Uiso 1 1 d R . .
C49 C 0.373(2) -0.0488(18) 0.7681(10) 0.043(5) Uani 1 1 d . . .
H49A H 0.3151 -0.1133 0.7411 0.052 Uiso 1 1 d R . .
H49B H 0.3444 0.0077 0.7594 0.052 Uiso 1 1 d R . .
H49C H 0.3717 -0.0616 0.8073 0.052 Uiso 1 1 d R . .
C50 C 0.5210(17) 0.0045(16) 0.7018(8) 0.030(4) Uani 1 1 d . . .
C51 C 0.4913(19) 0.0791(15) 0.6722(8) 0.032(4) Uani 1 1 d . . .
H51 H 0.4678 0.1278 0.6902 0.038 Uiso 1 1 calc R . .
C52 C 0.113(3) 0.434(3) 0.5376(18) 0.104(11) Uani 1 1 d U . .
H52A H 0.0285 0.3806 0.5374 0.125 Uiso 1 1 d R . .
H52B H 0.1281 0.4241 0.5001 0.125 Uiso 1 1 d R . .
H52C H 0.1152 0.5041 0.5455 0.125 Uiso 1 1 d R . .
C53 C 0.217(3) 0.419(2) 0.5848(14) 0.068(6) Uani 1 1 d U . .
C54 C 0.211(7) 0.555(4) 0.654(2) 0.19(3) Uani 1 1 d U . .
H54A H 0.2503 0.6206 0.6394 0.226 Uiso 1 1 d R . .
H54B H 0.2343 0.5678 0.6957 0.226 Uiso 1 1 d R . .
H54C H 0.1173 0.5263 0.6385 0.226 Uiso 1 1 d R . .
C55 C 0.353(5) 0.450(4) 0.6798(18) 0.15(2) Uani 1 1 d U . .
H55A H 0.3165 0.3864 0.6966 0.181 Uiso 1 1 d R . .
H55B H 0.3942 0.5116 0.7100 0.181 Uiso 1 1 d R . .
H55C H 0.4175 0.4439 0.6619 0.181 Uiso 1 1 d R . .
C56 C 0.807(4) 0.170(4) 0.4214(18) 0.115(15) Uani 1 1 d . . .
H56A H 0.8992 0.1910 0.4267 0.138 Uiso 1 1 d R . .
H56B H 0.7692 0.1869 0.3846 0.138 Uiso 1 1 d R . .
H56C H 0.7652 0.0942 0.4215 0.138 Uiso 1 1 d R . .
C57 C 0.780(4) 0.237(3) 0.479(3) 0.16(3) Uani 1 1 d . . .
C58 C 0.794(4) 0.280(4) 0.5672(19) 0.119(15) Uani 1 1 d . . .
H58A H 0.7604 0.3308 0.5517 0.143 Uiso 1 1 d R . .
H58B H 0.8776 0.3179 0.5952 0.143 Uiso 1 1 d R . .
H58C H 0.7336 0.2327 0.5859 0.143 Uiso 1 1 d R . .
C59 C 0.857(5) 0.129(4) 0.532(3) 0.18(3) Uani 1 1 d . . .
H59A H 0.7867 0.0580 0.5242 0.219 Uiso 1 1 d R . .
H59B H 0.8941 0.1505 0.5734 0.219 Uiso 1 1 d R . .
H59C H 0.9243 0.1275 0.5149 0.219 Uiso 1 1 d R . .
N1 N 0.808(4) 0.201(4) 0.509(3) 0.19(3) Uani 1 1 d . . .
N2 N 0.255(4) 0.476(2) 0.6303(12) 0.096(9) Uani 1 1 d U . .
O1 O -0.2304(15) 0.5607(15) 0.0465(7) 0.059(5) Uani 1 1 d . . .
O2 O -0.4168(14) 0.4630(13) 0.0648(7) 0.056(5) Uani 1 1 d . . .
O3 O 0.4536(13) 0.5438(12) 0.4235(6) 0.048(4) Uani 1 1 d . . .
O4 O 0.3180(13) 0.4203(10) 0.4631(5) 0.033(3) Uani 1 1 d . . .
O5 O -0.3936(16) -0.3087(13) 0.0354(7) 0.051(4) Uani 1 1 d . . .
O6 O -0.5645(14) -0.4124(11) 0.0665(7) 0.046(4) Uani 1 1 d . . .
O7 O 0.2684(13) 0.1961(10) 0.4213(5) 0.032(3) Uani 1 1 d . . .
O8 O 0.1596(14) 0.1463(12) 0.4858(6) 0.044(4) Uani 1 1 d . . .
O9 O 0.4570(15) 0.1563(12) 0.5284(6) 0.043(4) Uani 1 1 d . . .
O10 O 0.4353(15) 0.2304(11) 0.6069(6) 0.038(3) Uani 1 1 d . . .
O11 O 0.6367(18) -0.3892(13) 0.8579(7) 0.056(4) Uani 1 1 d . . .
O12 O 0.6278(18) -0.2584(13) 0.9120(6) 0.051(4) Uani 1 1 d . . .
O13 O 0.5433(15) 0.3584(12) 0.4645(7) 0.049(4) Uani 1 1 d . . .
O14 O 0.2616(17) 0.3528(14) 0.5725(8) 0.057(4) Uani 1 1 d . . .
O15 O 0.739(2) 0.3039(19) 0.4591(12) 0.099(8) Uani 1 1 d . . .
O16 O 0.0000 0.5000 0.0000 0.45(7) Uani 1 2 d SU . .
O17 O 0.887(11) 0.955(9) 0.975(5) 0.25(5) Uani 0.50 1 d PU . .
O18 O 0.436(14) 0.039(14) 0.985(10) 0.48(14) Uani 0.50 1 d P . .
O19 O 0.843(6) -0.424(4) 0.941(2) 0.26(2) Uani 1 1 d DU . .
O20 O 0.871(4) -0.279(3) 0.9779(17) 0.178(15) Uani 1 1 d DU . .
O21 O 0.004(6) 0.707(5) 0.918(5) 0.40(6) Uani 1 1 d . . .
O22 O 0.046(8) 0.816(11) 0.055(3) 0.77(15) Uani 1 1 d . . .
O23 O 0.134(16) 0.711(10) 0.986(4) 0.56(9) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O14 Eu1 O3 78.8(6) . 2_666
O14 Eu1 O4 77.9(5) . .
O3 Eu1 O4 84.0(5) 2_666 .
O14 Eu1 O7 121.7(6) . .
O3 Eu1 O7 147.1(5) 2_666 .
O4 Eu1 O7 76.8(4) . .
O14 Eu1 O10 79.7(5) . .
O3 Eu1 O10 79.0(5) 2_666 .
O4 Eu1 O10 154.0(5) . .
O7 Eu1 O10 126.9(5) . .
O14 Eu1 O13 145.4(6) . .
O3 Eu1 O13 75.0(6) 2_666 .
O4 Eu1 O13 77.3(5) . .
O7 Eu1 O13 74.9(5) . .
O10 Eu1 O13 116.3(5) . .
O14 Eu1 O8 79.2(6) . .
O3 Eu1 O8 157.3(5) 2_666 .
O4 Eu1 O8 97.0(5) . .
O7 Eu1 O8 53.4(4) . .
O10 Eu1 O8 91.4(5) . .
O13 Eu1 O8 127.5(5) . .
O14 Eu1 O9 129.4(5) . .
O3 Eu1 O9 106.4(5) 2_666 .
O4 Eu1 O9 151.8(5) . .
O7 Eu1 O9 81.1(5) . .
O10 Eu1 O9 53.5(5) . .
O13 Eu1 O9 80.3(5) . .
O8 Eu1 O9 83.3(5) . .
O14 Eu1 C27 100.6(6) . .
O3 Eu1 C27 169.9(5) 2_666 .
O4 Eu1 C27 86.0(5) . .
O7 Eu1 C27 26.7(5) . .
O10 Eu1 C27 111.0(5) . .
O13 Eu1 C27 101.3(6) . .
O8 Eu1 C27 26.7(5) . .
O9 Eu1 C27 81.9(5) . .
O14 Eu1 C35 104.7(6) . .
O3 Eu1 C35 93.9(5) 2_666 .
O4 Eu1 C35 176.3(5) . .
O7 Eu1 C35 103.7(5) . .
O10 Eu1 C35 27.1(5) . .
O13 Eu1 C35 99.3(5) . .
O8 Eu1 C35 86.1(5) . .
O9 Eu1 C35 26.5(5) . .
C27 Eu1 C35 96.1(6) . .
O6 Eu2 O2 74.9(6) 2_546 2_556
O6 Eu2 O5 128.6(6) 2_546 1_656
O2 Eu2 O5 76.5(6) 2_556 1_656
O6 Eu2 O1 82.9(6) 2_546 1_646
O2 Eu2 O1 124.2(6) 2_556 1_646
O5 Eu2 O1 79.3(6) 1_656 1_646
O6 Eu2 O20 124.8(10) 2_546 .
O2 Eu2 O20 157.4(10) 2_556 .
O5 Eu2 O20 95.2(11) 1_656 .
O1 Eu2 O20 73.4(10) 1_646 .
O6 Eu2 O12 133.3(5) 2_546 .
O2 Eu2 O12 81.2(6) 2_556 .
O5 Eu2 O12 81.8(5) 1_656 .
O1 Eu2 O12 142.7(6) 1_646 .
O20 Eu2 O12 76.8(10) . .
O6 Eu2 O11 85.8(5) 2_546 .
O2 Eu2 O11 87.9(6) 2_556 .
O5 Eu2 O11 134.4(5) 1_656 .
O1 Eu2 O11 141.0(6) 1_646 .
O20 Eu2 O11 83.1(10) . .
O12 Eu2 O11 53.4(5) . .
O6 Eu2 O19 77.7(11) 2_546 .
O2 Eu2 O19 146.3(12) 2_556 .
O5 Eu2 O19 136.9(12) 1_656 .
O1 Eu2 O19 70.4(14) 1_646 .
O20 Eu2 O19 47.6(7) . .
O12 Eu2 O19 104.4(13) . .
O11 Eu2 O19 70.8(13) . .
O6 Eu2 C44 110.1(6) 2_546 .
O2 Eu2 C44 83.6(6) 2_556 .
O5 Eu2 C44 108.0(6) 1_656 .
O1 Eu2 C44 152.0(6) 1_646 .
O20 Eu2 C44 79.0(10) . .
O12 Eu2 C44 26.6(6) . .
O11 Eu2 C44 26.8(6) . .
O19 Eu2 C44 87.8(14) . .
O6 Eu2 C1 73.9(5) 2_546 1_646
O2 Eu2 C1 104.0(6) 2_556 1_646
O5 Eu2 C1 73.0(6) 1_656 1_646
O1 Eu2 C1 20.3(6) 1_646 1_646
O20 Eu2 C1 93.2(10) . 1_646
O12 Eu2 C1 151.9(6) . 1_646
O11 Eu2 C1 152.5(6) . 1_646
O19 Eu2 C1 86.6(13) . 1_646
C44 Eu2 C1 172.2(6) . 1_646
O6 Eu2 Eu2 63.9(4) 2_546 2_647
O2 Eu2 Eu2 48.2(4) 2_556 2_647
O5 Eu2 Eu2 65.1(4) 1_656 2_647
O1 Eu2 Eu2 76.1(4) 1_646 2_647
O20 Eu2 Eu2 146.3(9) . 2_647
O12 Eu2 Eu2 123.3(4) . 2_647
O11 Eu2 Eu2 130.4(4) . 2_647
O19 Eu2 Eu2 131.4(12) . 2_647
C44 Eu2 Eu2 131.8(4) . 2_647
C1 Eu2 Eu2 55.9(4) 1_646 2_647
O1 C1 O2 122.4(18) . .
O1 C1 C2 119.2(19) . .
O2 C1 C2 118.3(19) . .
O1 C1 Eu2 41.9(9) . 1_464
O2 C1 Eu2 80.6(11) . 1_464
C2 C1 Eu2 161.0(15) . 1_464
C17 C2 C3 120.2(17) . .
C17 C2 C1 119.2(19) . .
C3 C2 C1 120.5(18) . .
C4 C3 C2 120.5(18) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 120.4(19) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C4 C5 C16 118.5(17) . .
C4 C5 C6 132.7(18) . .
C16 C5 C6 108.7(16) . .
C7 C6 C12 118.6(16) . .
C7 C6 C5 131.6(17) . .
C12 C6 C5 109.7(16) . .
C8 C7 C6 119.9(17) . .
C8 C7 H7 120.1 . .
C6 C7 H7 120.1 . .
C7 C8 C9 120.8(16) . .
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 . .
C11 C9 C8 119.9(16) . .
C11 C9 C10 118.6(17) . .
C8 C9 C10 121.5(16) . .
O3 C10 O4 123.4(16) . .
O3 C10 C9 119.3(17) . .
O4 C10 C9 117.1(17) . .
C9 C11 C12 119.5(18) . .
C9 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C11 C12 C6 121.2(17) . .
C11 C12 C13 128.9(17) . .
C6 C12 C13 109.8(15) . .
C15 C13 C16 111.5(19) . .
C15 C13 C12 111.8(18) . .
C16 C13 C12 101.0(15) . .
C15 C13 C14 111(2) . .
C16 C13 C14 112.0(18) . .
C12 C13 C14 109.0(18) . .
C13 C14 H14A 112.5 . .
C13 C14 H14B 107.9 . .
H14A C14 H14B 109.4 . .
C13 C14 H14C 108.1 . .
H14A C14 H14C 109.2 . .
H14B C14 H14C 109.7 . .
C13 C15 H15A 108.7 . .
C13 C15 H15B 110.4 . .
H15A C15 H15B 109.7 . .
C13 C15 H15C 109.3 . .
H15A C15 H15C 109.7 . .
H15B C15 H15C 108.9 . .
C17 C16 C5 121.4(18) . .
C17 C16 C13 127.8(17) . .
C5 C16 C13 110.8(15) . .
C16 C17 C2 119.0(18) . .
C16 C17 H17 120.5 . .
C2 C17 H17 120.5 . .
O6 C18 O5 124.1(19) . .
O6 C18 C19 116.7(18) . .
O5 C18 C19 119.1(18) . .
C20 C19 C34 117.7(15) . .
C20 C19 C18 124.1(16) . .
C34 C19 C18 118.2(15) . .
C19 C20 C21 123.3(18) . .
C19 C20 H20 118.3 . .
C21 C20 H20 118.3 . .
C20 C21 C22 119.0(19) . .
C20 C21 H21 120.5 . .
C22 C21 H21 120.5 . .
C33 C22 C21 120.0(18) . .
C33 C22 C23 108.0(17) . .
C21 C22 C23 131.9(19) . .
C29 C23 C24 118.6(18) . .
C29 C23 C22 110.6(17) . .
C24 C23 C22 130.7(18) . .
C25 C24 C23 119.0(18) . .
C25 C24 H24 120.5 . .
C23 C24 H24 120.5 . .
C26 C25 C24 120.6(18) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C25 C26 C28 121.2(17) . .
C25 C26 C27 121.3(17) . .
C28 C26 C27 117.5(17) . .
O7 C27 O8 122.8(17) . .
O7 C27 C26 118.2(17) . .
O8 C27 C26 119.1(17) . .
O7 C27 Eu1 60.4(9) . .
O8 C27 Eu1 62.4(10) . .
C26 C27 Eu1 177.1(13) . .
C29 C28 C26 117.1(17) . .
C29 C28 H28 121.5 . .
C26 C28 H28 121.5 . .
C28 C29 C23 123.4(18) . .
C28 C29 C30 127.1(18) . .
C23 C29 C30 109.5(16) . .
C32 C30 C31 109(2) . .
C32 C30 C33 113.2(18) . .
C31 C30 C33 110.4(18) . .
C32 C30 C29 112.9(18) . .
C31 C30 C29 109.9(18) . .
C33 C30 C29 100.9(15) . .
C30 C31 H31A 110.5 . .
C30 C31 H31B 108.2 . .
H31A C31 H31B 109.4 . .
C30 C31 H31C 109.6 . .
H31A C31 H31C 109.7 . .
H31B C31 H31C 109.4 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 111.1 . .
H32A C32 H32B 109.4 . .
C30 C32 H32C 108.0 . .
H32A C32 H32C 109.8 . .
H32B C32 H32C 109.1 . .
C34 C33 C22 120.5(18) . .
C34 C33 C30 128.3(18) . .
C22 C33 C30 111.0(17) . .
C33 C34 C19 119.3(15) . .
C33 C34 H34 120.3 . .
C19 C34 H34 120.3 . .
O9 C35 O10 120.8(17) . .
O9 C35 C36 119.4(18) . .
O10 C35 C36 119.7(16) . .
O9 C35 Eu1 60.9(10) . .
O10 C35 Eu1 60.0(9) . .
C36 C35 Eu1 175.6(13) . .
C37 C36 C51 119.0(17) . .
C37 C36 C35 121.1(17) . .
C51 C36 C35 119.9(17) . .
C38 C37 C36 122.4(18) . .
C38 C37 H37 118.8 . .
C36 C37 H37 118.8 . .
C37 C38 C39 117.6(18) . .
C37 C38 H38 121.2 . .
C39 C38 H38 121.2 . .
C50 C39 C38 120.1(17) . .
C50 C39 C40 109.8(16) . .
C38 C39 C40 130.0(18) . .
C41 C40 C46 119.5(18) . .
C41 C40 C39 133.8(19) . .
C46 C40 C39 106.7(17) . .
C42 C41 C40 119(2) . .
C42 C41 H41 120.7 . .
C40 C41 H41 120.7 . .
C41 C42 C43 124(2) . .
C41 C42 H42 117.9 . .
C43 C42 H42 117.9 . .
C42 C43 C45 117.9(17) . .
C42 C43 C44 124.8(19) . .
C45 C43 C44 117.3(18) . .
O12 C44 O11 117.5(19) . .
O12 C44 C43 122.6(18) . .
O11 C44 C43 120(2) . .
O12 C44 Eu2 56.9(10) . .
O11 C44 Eu2 60.6(11) . .
C43 C44 Eu2 177.4(15) . .
C46 C45 C43 120.1(19) . .
C46 C45 H45 120.0 . .
C43 C45 H45 120.0 . .
C45 C46 C40 119.6(18) . .
C45 C46 C47 128.9(18) . .
C40 C46 C47 111.4(15) . .
C46 C47 C48 111.4(16) . .
C46 C47 C50 101.4(15) . .
C48 C47 C50 114.1(16) . .
C46 C47 C49 110.0(15) . .
C48 C47 C49 109.9(18) . .
C50 C47 C49 109.8(16) . .
C47 C48 H48A 111.3 . .
C47 C48 H48B 109.1 . .
H48A C48 H48B 109.4 . .
C47 C48 H48C 107.8 . .
H48A C48 H48C 109.7 . .
H48B C48 H48C 109.5 . .
C47 C49 H49A 109.7 . .
C47 C49 H49B 109.4 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.0 . .
H49A C49 H49C 109.8 . .
H49B C49 H49C 109.5 . .
C51 C50 C39 121.4(17) . .
C51 C50 C47 128.0(18) . .
C39 C50 C47 110.6(16) . .
C50 C51 C36 119.4(18) . .
C50 C51 H51 120.3 . .
C36 C51 H51 120.3 . .
C53 C52 H52A 108.1 . .
C53 C52 H52B 110.5 . .
H52A C52 H52B 109.6 . .
C53 C52 H52C 109.8 . .
H52A C52 H52C 109.3 . .
H52B C52 H52C 109.5 . .
N2 C53 O14 124(3) . .
N2 C53 C52 118(3) . .
O14 C53 C52 118(3) . .
N2 C54 H54A 107.8 . .
N2 C54 H54B 113.5 . .
H54A C54 H54B 109.9 . .
N2 C54 H54C 107.1 . .
H54A C54 H54C 109.0 . .
H54B C54 H54C 109.4 . .
N2 C55 H55A 117.3 . .
N2 C55 H55B 106.1 . .
H55A C55 H55B 108.9 . .
N2 C55 H55C 104.8 . .
H55A C55 H55C 109.4 . .
H55B C55 H55C 110.1 . .
C57 C56 H56A 110.5 . .
C57 C56 H56B 110.3 . .
H56A C56 H56B 109.3 . .
C57 C56 H56C 108.0 . .
H56A C56 H56C 109.1 . .
H56B C56 H56C 109.7 . .
N1 C57 O15 155(10) . .
N1 C57 C56 97(7) . .
O15 C57 C56 108(6) . .
N1 C58 H58A 109.3 . .
N1 C58 H58B 110.6 . .
H58A C58 H58B 109.6 . .
N1 C58 H58C 108.8 . .
H58A C58 H58C 109.7 . .
H58B C58 H58C 108.8 . .
N1 C59 H59A 109.5 . .
N1 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
N1 C59 H59C 109.4 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C57 N1 C59 156(10) . .
C57 N1 C58 96(7) . .
C59 N1 C58 108(5) . .
C53 N2 C54 132(4) . .
C53 N2 C55 115(3) . .
C54 N2 C55 112(3) . .
C1 O1 Eu2 117.9(13) . 1_464
C1 O2 Eu2 175.3(15) . 2_556
C10 O3 Eu1 142.1(15) . 2_666
C10 O4 Eu1 141.3(13) . .
C18 O5 Eu2 134.6(13) . 1_454
C18 O6 Eu2 133.1(14) . 2_546
C27 O7 Eu1 92.9(11) . .
C27 O8 Eu1 90.9(11) . .
C35 O9 Eu1 92.6(12) . .
C35 O10 Eu1 92.9(10) . .
C44 O11 Eu2 92.5(14) . .
C44 O12 Eu2 96.6(12) . .
C53 O14 Eu1 149.1(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O14 2.340(16) .
Eu1 O3 2.357(14) 2_666
Eu1 O4 2.361(12) .
Eu1 O7 2.406(13) .
Eu1 O10 2.435(12) .
Eu1 O13 2.444(14) .
Eu1 O8 2.449(14) .
Eu1 O9 2.455(13) .
Eu1 C27 2.763(18) .
Eu1 C35 2.807(19) .
Eu2 O6 2.326(14) 2_546
Eu2 O2 2.329(14) 2_556
Eu2 O5 2.355(17) 1_656
Eu2 O1 2.380(13) 1_646
Eu2 O20 2.40(4) .
Eu2 O12 2.406(14) .
Eu2 O11 2.490(15) .
Eu2 O19 2.55(5) .
Eu2 C44 2.85(2) .
Eu2 C1 3.152(19) 1_646
Eu2 Eu2 4.2425(19) 2_647
C1 O1 1.23(3) .
C1 O2 1.27(3) .
C1 C2 1.49(2) .
C1 Eu2 3.152(19) 1_464
C2 C17 1.38(3) .
C2 C3 1.39(3) .
C3 C4 1.36(3) .
C3 H3 0.9300 .
C4 C5 1.39(3) .
C4 H4 0.9300 .
C5 C16 1.40(3) .
C5 C6 1.44(2) .
C6 C7 1.40(3) .
C6 C12 1.40(3) .
C7 C8 1.37(3) .
C7 H7 0.9300 .
C8 C9 1.39(3) .
C8 H8 0.9300 .
C9 C11 1.38(2) .
C9 C10 1.48(2) .
C10 O3 1.25(2) .
C10 O4 1.28(2) .
C11 C12 1.38(2) .
C11 H11 0.9300 .
C12 C13 1.53(2) .
C13 C15 1.50(3) .
C13 C16 1.52(3) .
C13 C14 1.57(3) .
C14 H14A 0.9618 .
C14 H14B 0.9562 .
C14 H14C 0.9650 .
C15 H15A 0.9648 .
C15 H15B 0.9560 .
C15 H15C 0.9625 .
C16 C17 1.38(3) .
C17 H17 0.9300 .
C18 O6 1.26(2) .
C18 O5 1.28(3) .
C18 C19 1.48(2) .
C19 C20 1.34(3) .
C19 C34 1.48(2) .
C20 C21 1.36(3) .
C20 H20 0.9300 .
C21 C22 1.40(3) .
C21 H21 0.9300 .
C22 C33 1.39(3) .
C22 C23 1.46(3) .
C23 C29 1.38(3) .
C23 C24 1.40(3) .
C24 C25 1.39(3) .
C24 H24 0.9300 .
C25 C26 1.36(3) .
C25 H25 0.9300 .
C26 C28 1.41(3) .
C26 C27 1.53(2) .
C27 O7 1.24(2) .
C27 O8 1.24(2) .
C28 C29 1.36(3) .
C28 H28 0.9300 .
C29 C30 1.55(3) .
C30 C32 1.50(3) .
C30 C31 1.53(3) .
C30 C33 1.53(3) .
C31 H31A 0.9630 .
C31 H31B 0.9548 .
C31 H31C 0.9665 .
C32 H32A 0.9665 .
C32 H32B 0.9546 .
C32 H32C 0.9612 .
C33 C34 1.34(2) .
C34 H34 0.9300 .
C35 O9 1.25(2) .
C35 O10 1.28(2) .
C35 C36 1.49(3) .
C36 C37 1.39(3) .
C36 C51 1.40(3) .
C37 C38 1.38(3) .
C37 H37 0.9300 .
C38 C39 1.42(3) .
C38 H38 0.9300 .
C39 C50 1.39(3) .
C39 C40 1.45(3) .
C40 C41 1.42(3) .
C40 C46 1.42(3) .
C41 C42 1.34(3) .
C41 H41 0.9300 .
C42 C43 1.36(3) .
C42 H42 0.9300 .
C43 C45 1.44(3) .
C43 C44 1.46(3) .
C44 O12 1.28(3) .
C44 O11 1.29(3) .
C45 C46 1.37(2) .
C45 H45 0.9300 .
C46 C47 1.49(3) .
C47 C48 1.51(3) .
C47 C50 1.51(2) .
C47 C49 1.57(3) .
C48 H48A 0.9666 .
C48 H48B 0.9621 .
C48 H48C 0.9573 .
C49 H49A 0.9588 .
C49 H49B 0.9622 .
C49 H49C 0.9669 .
C50 C51 1.37(3) .
C51 H51 0.9300 .
C52 C53 1.51(4) .
C52 H52A 0.9552 .
C52 H52B 0.9669 .
C52 H52C 0.9616 .
C53 N2 1.18(4) .
C53 O14 1.26(3) .
C54 N2 1.49(4) .
C54 H54A 0.9603 .
C54 H54B 0.9665 .
C54 H54C 0.9553 .
C55 N2 1.59(5) .
C55 H55A 0.9609 .
C55 H55B 0.9614 .
C55 H55C 0.9617 .
C56 C57 1.77(8) .
C56 H56A 0.9559 .
C56 H56B 0.9650 .
C56 H56C 0.9587 .
C57 N1 0.95(6) .
C57 O15 1.24(5) .
C58 N1 1.80(8) .
C58 H58A 0.9625 .
C58 H58B 0.9570 .
C58 H58C 0.9601 .
C59 N1 1.40(5) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
O1 Eu2 2.380(13) 1_464
O2 Eu2 2.329(14) 2_556
O3 Eu1 2.357(14) 2_666
O5 Eu2 2.355(17) 1_454
O6 Eu2 2.326(14) 2_546
